[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-5-cyclohexyl-pentan-3-yl] benzoate

Systemtic Name: [1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-5-cyclohexyl-pentan-3-yl] benzoate Openeye Name: [1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-3-cyclohexyl-propyl] benzoate CAS Name: benzoic acid [1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-5-cyclohexylpentan-3-yl] ester IUPAC Name: [1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-5-cyclohexylpentan-3-yl] benzoate Traditional Name: benzoic acid [1-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethyl]-3-cyclohexyl-propyl] ester Formula: C43H49NO4 MolecularWeight: 643.85346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CCC2CCCCC2)OC(=O)C3=CC=CC=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CCC2CCCCC2)OC(=O)C3=CC=CC=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C43H49NO4/c1-43(2,3)37-27-24-31(23-26-33(25-22-30-14-6-4-7-15-30)47-42(46)32-16-8-5-9-17-32)28-38(37)44-41(45)29-36-34-18-10-12-20-39(34)48-40-21-13-11-19-35(36)40/h5,8-13,16-21,24,27-28,30,33,36H,4,6-7,14-15,22-23,25-26,29H2,1-3H3,(H,44,45)